#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g2r n LYS 5 N 0.00 -2.35 -2.17 5.56 5.02 -1.26 -4.80 118.16 118.15 1g2r n LYS 5 Ca 0.00 0.44 -0.42 0.00 -2.02 0.00 0.00 58.31 56.31 1g2r n LYS 5 Cb 0.00 -4.33 -0.03 0.00 -0.02 0.00 0.00 35.03 30.65 1g2r n LYS 5 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1g2r s ILE 6 N -3.68 3.62 0.31 -0.18 1.10 -1.26 -4.94 121.20 116.17 1g2r s ILE 6 Ca 0.24 1.00 -0.29 0.00 -0.51 0.00 0.00 60.65 61.09 1g2r s ILE 6 Cb -0.09 -3.64 -0.12 0.00 0.15 0.00 0.00 42.46 38.76 1g2r s ILE 6 CO 0.87 -0.01 1.48 -2.65 -2.11 0.00 0.00 174.94 172.52 1g2r n PRO 7 N 5.53 2.46 -3.64 3.50 -0.02 -1.26 -5.00 135.00 136.57 1g2r n PRO 7 Ca 0.14 0.87 -0.36 0.00 -2.02 0.00 0.00 63.50 62.12 1g2r n PRO 7 Cb 0.43 -2.58 -0.09 0.00 -0.02 0.00 0.00 33.50 31.25 1g2r n PRO 7 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1g2r s LEU 8 N -0.84 4.16 0.49 2.45 1.43 -1.26 -4.96 118.68 120.15 1g2r s LEU 8 Ca 0.61 0.24 0.01 0.00 -1.03 0.00 0.00 54.13 53.96 1g2r s LEU 8 Cb -0.53 -2.18 0.01 0.00 0.03 0.00 0.00 46.19 43.52 1g2r s LEU 8 CO 0.55 0.09 0.70 -0.13 0.23 0.00 0.00 176.35 177.79 1g2r s ARG 9 N 0.80 2.87 -0.13 1.70 1.81 -1.26 -4.82 118.95 119.92 1g2r s ARG 9 Ca 0.10 -0.62 -0.08 0.00 -1.72 0.00 0.00 55.73 53.41 1g2r s ARG 9 Cb -0.13 -2.54 -0.04 0.00 -0.45 0.00 0.00 34.95 31.79 1g2r s ARG 9 CO 0.03 -0.43 0.14 0.15 -0.68 0.00 0.00 175.30 174.51 1g2r s LYS 10 N -4.62 3.58 0.18 3.54 -0.14 -1.26 -0.64 119.74 120.38 1g2r s LYS 10 Ca 0.52 -0.14 -0.30 0.00 -1.36 0.00 0.00 55.97 54.68 1g2r s LYS 10 Cb -0.10 -3.23 -0.08 0.00 -1.68 0.00 0.00 37.83 32.74 1g2r s LYS 10 CO 0.38 0.69 1.21 0.45 -0.76 0.00 0.00 175.35 177.32 1g2r s SER 11 N -0.77 7.07 0.27 2.83 0.15 0.04 -4.49 113.70 118.79 1g2r s SER 11 Ca 0.14 2.24 0.26 0.00 0.70 0.00 0.00 55.95 59.28 1g2r s SER 11 Cb -0.12 -2.61 0.87 0.00 -1.71 0.00 0.00 66.02 62.45 1g2r s SER 11 CO 0.03 -0.39 1.76 1.62 1.20 0.00 0.00 173.24 177.45 1g2r h VAL 12 N 3.79 0.00 0.00 4.45 3.04 -1.26 0.96 116.25 127.23 1g2r h VAL 12 Ca -0.44 -0.44 -0.09 0.00 -1.01 0.00 0.00 66.70 64.71 1g2r h VAL 12 Cb 1.21 1.35 -0.01 0.00 -2.01 0.00 0.00 31.29 31.83 1g2r h VAL 12 CO 0.75 0.00 -0.51 0.58 -1.01 0.00 0.00 177.57 177.38 1g2r h VAL 13 N 0.00 1.31 0.00 1.51 2.07 -1.91 -3.42 116.25 115.81 1g2r h VAL 13 Ca 0.00 -2.18 0.00 0.00 0.82 0.00 0.00 66.70 65.34 1g2r h VAL 13 Cb 0.62 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 33.06 1g2r h VAL 13 CO 0.00 0.44 -1.21 -1.54 0.02 0.00 0.00 177.57 175.28 1g2r n SER 14 N -4.55 0.93 -1.26 0.57 3.41 -1.23 -4.99 113.62 106.51 1g2r n SER 14 Ca -0.18 -0.50 -0.16 0.00 -0.26 0.00 0.00 58.87 57.77 1g2r n SER 14 Cb 0.53 1.34 -0.06 0.00 -0.26 0.00 0.00 64.21 65.76 1g2r n SER 14 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1g2r n ASN 15 N -1.70 -4.91 -4.96 4.04 3.02 0.33 -4.98 115.26 106.11 1g2r n ASN 15 Ca 0.00 0.37 -0.24 0.00 -0.03 0.00 0.00 54.58 54.69 1g2r n ASN 15 Cb 0.34 -3.83 -0.03 0.00 -0.61 0.00 0.00 39.78 35.65 1g2r n ASN 15 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1g2r s GLU 16 N -3.44 3.43 0.21 3.52 2.02 -1.26 -4.74 118.70 118.45 1g2r s GLU 16 Ca 0.00 -0.68 -0.30 0.00 0.02 0.00 0.00 54.97 54.01 1g2r s GLU 16 Cb 0.00 -2.92 -0.09 0.00 0.10 0.00 0.00 34.13 31.22 1g2r s GLU 16 CO 0.00 0.47 1.25 0.08 0.02 0.00 0.00 175.26 177.09 1g2r s VAL 17 N -1.86 3.30 -0.21 2.63 1.01 -1.26 -0.78 120.40 123.22 1g2r s VAL 17 Ca 0.34 1.12 -0.12 0.00 0.00 0.00 0.00 61.98 63.32 1g2r s VAL 17 Cb -0.10 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 1g2r s VAL 17 CO 0.29 0.19 0.24 -0.63 0.00 0.00 0.00 175.10 175.18 1g2r s ILE 18 N -0.18 5.32 0.51 2.22 1.01 0.19 -4.91 121.20 125.36 1g2r s ILE 18 Ca 0.53 0.37 -0.23 0.00 0.00 0.00 0.00 60.65 61.33 1g2r s ILE 18 Cb -0.35 -3.57 -0.07 0.00 0.01 0.00 0.00 42.46 38.48 1g2r s ILE 18 CO 0.39 0.34 1.30 0.47 0.00 0.00 0.00 174.94 177.45 1g2r n ASP 19 N 4.09 2.52 -0.28 3.58 9.92 -1.26 -4.22 116.55 130.91 1g2r n ASP 19 Ca -0.13 1.01 0.07 0.00 -0.53 0.00 0.00 54.79 55.21 1g2r n ASP 19 Cb 0.52 -1.54 0.22 0.00 -0.64 0.00 0.00 41.12 39.68 1g2r n ASP 19 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 1g2r h LYS 20 N 1.61 0.47 0.00 -1.24 3.64 -1.96 0.26 116.57 119.35 1g2r h LYS 20 Ca -0.50 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1g2r h LYS 20 Cb 1.30 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1g2r h LYS 20 CO 0.58 0.31 0.00 0.54 -2.27 0.00 0.00 179.45 178.61 1g2r n ARG 21 N -4.98 0.07 -0.03 1.90 1.74 -1.26 -2.48 116.66 111.63 1g2r n ARG 21 Ca 0.16 0.22 0.12 0.00 -0.77 0.00 0.00 57.85 57.59 1g2r n ARG 21 Cb 0.46 -1.61 0.14 0.00 -1.02 0.00 0.00 32.46 30.42 1g2r n ARG 21 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1g2r n ASP 22 N -1.75 3.01 -4.72 0.55 8.00 0.06 -4.95 116.55 116.76 1g2r n ASP 22 Ca 0.04 -1.98 -0.42 0.00 0.71 0.00 0.00 54.79 53.14 1g2r n ASP 22 Cb 0.25 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.28 1g2r n ASP 22 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1g2r s LEU 23 N -1.92 4.38 -0.06 0.64 2.96 -1.03 -0.16 118.68 123.49 1g2r s LEU 23 Ca 0.30 2.17 0.01 0.00 -0.22 0.00 0.00 54.13 56.39 1g2r s LEU 23 Cb 0.20 -3.59 0.02 0.00 0.50 0.00 0.00 46.19 43.33 1g2r s LEU 23 CO 0.30 -0.53 -0.06 -0.22 -1.32 0.00 0.00 176.35 174.53 1g2r s LEU 24 N 0.87 1.31 -0.18 -0.68 2.96 -0.57 -4.83 118.68 117.56 1g2r s LEU 24 Ca 0.60 -0.18 -0.09 0.00 -0.22 0.00 0.00 54.13 54.24 1g2r s LEU 24 Cb -0.33 -0.58 -0.05 0.00 0.50 0.00 0.00 46.19 45.74 1g2r s LEU 24 CO 0.31 -0.06 0.12 -0.60 -1.32 0.00 0.00 176.35 174.80 1g2r s ARG 25 N 1.05 3.99 -0.12 1.98 3.52 -1.26 -1.54 118.95 126.57 1g2r s ARG 25 Ca -0.09 -0.22 -0.00 0.00 -0.13 0.00 0.00 55.73 55.29 1g2r s ARG 25 Cb -0.14 -3.34 -0.02 0.00 -1.56 0.00 0.00 34.95 29.89 1g2r s ARG 25 CO -0.01 0.40 -0.11 0.42 -0.81 0.00 0.00 175.30 175.19 1g2r s ILE 26 N 0.06 3.22 0.00 4.11 1.09 0.01 -0.73 121.20 128.97 1g2r s ILE 26 Ca 0.09 -0.61 0.08 0.00 -1.10 0.00 0.00 60.65 59.11 1g2r s ILE 26 Cb -0.11 -2.35 -0.02 0.00 -1.06 0.00 0.00 42.46 38.91 1g2r s ILE 26 CO -0.00 0.53 -0.26 -0.69 -0.10 0.00 0.00 174.94 174.42 1g2r s VAL 27 N 0.19 2.11 -0.18 2.92 1.01 0.33 -0.55 120.40 126.24 1g2r s VAL 27 Ca -0.07 -1.19 -0.00 0.00 0.00 0.00 0.00 61.98 60.72 1g2r s VAL 27 Cb -0.15 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.48 1g2r s VAL 27 CO 0.05 0.51 -0.14 -0.75 0.00 0.00 0.00 175.10 174.76 1g2r s LYS 28 N -0.82 3.18 0.76 2.72 2.20 -0.24 -0.93 119.74 126.61 1g2r s LYS 28 Ca 0.11 -0.75 -0.02 0.00 -0.36 0.00 0.00 55.97 54.95 1g2r s LYS 28 Cb -0.10 -2.69 0.14 0.00 -1.51 0.00 0.00 37.83 33.67 1g2r s LYS 28 CO 0.00 -0.10 1.04 0.54 -0.36 0.00 0.00 175.35 176.47 1g2r s ASN 29 N 1.11 4.14 0.46 1.43 2.20 -0.35 -0.29 114.94 123.63 1g2r s ASN 29 Ca 0.00 -0.36 0.30 0.00 -0.94 0.00 0.00 52.86 51.86 1g2r s ASN 29 Cb -0.14 0.06 1.19 0.00 -2.00 0.00 0.00 41.25 40.37 1g2r s ASN 29 CO -0.05 -2.01 1.89 0.11 -2.94 0.00 0.00 177.10 174.10 1g2r h LYS 30 N -0.68 0.00 -0.04 3.55 1.79 -1.94 -1.85 116.57 117.40 1g2r h LYS 30 Ca -0.36 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.11 1g2r h LYS 30 Cb 1.26 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 1g2r h LYS 30 CO 0.38 0.00 0.00 0.39 -1.08 0.00 0.00 179.45 179.14 1g2r n GLU 31 N -2.84 1.37 -0.93 3.15 -0.58 -1.26 -4.91 120.64 114.64 1g2r n GLU 31 Ca 0.01 -0.55 0.00 0.00 -0.42 0.00 0.00 57.16 56.20 1g2r n GLU 31 Cb 0.30 -1.43 0.00 0.00 -0.57 0.00 0.00 31.44 29.74 1g2r n GLU 31 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1g2r n GLY 32 N 1.04 0.47 3.82 0.62 0.00 -0.70 -5.04 105.19 105.42 1g2r n GLY 32 Ca 0.19 -0.57 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 1g2r n GLY 32 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1g2r s GLN 33 N -1.07 4.09 -0.08 1.61 -0.21 -1.26 -4.90 119.66 117.84 1g2r s GLN 33 Ca 0.00 0.61 0.04 0.00 0.02 0.00 0.00 55.36 56.03 1g2r s GLN 33 Cb 0.00 -3.19 -0.00 0.00 1.00 0.00 0.00 33.01 30.82 1g2r s GLN 33 CO 0.00 0.63 -0.22 0.08 -2.12 0.00 0.00 175.29 173.67 1g2r s VAL 34 N -1.15 1.85 0.15 1.09 1.01 -1.26 -1.21 120.40 120.88 1g2r s VAL 34 Ca 0.29 -0.91 -0.13 0.00 0.00 0.00 0.00 61.98 61.23 1g2r s VAL 34 Cb -0.18 -1.60 0.01 0.00 0.00 0.00 0.00 36.38 34.61 1g2r s VAL 34 CO 0.17 0.52 0.35 0.72 0.00 0.00 0.00 175.10 176.87 1g2r s PHE 35 N 0.27 0.09 0.13 5.22 -0.71 -0.10 -4.98 117.98 117.90 1g2r s PHE 35 Ca -0.14 -0.45 -0.28 0.00 -1.04 0.00 0.00 56.93 55.02 1g2r s PHE 35 Cb -0.16 0.13 -0.07 0.00 -1.21 0.00 0.00 43.02 41.71 1g2r s PHE 35 CO 0.07 -0.74 0.89 0.42 -1.34 0.00 0.00 175.22 174.52 1g2r s ILE 36 N -3.89 4.46 -0.62 -4.49 1.01 -1.26 -0.51 121.20 115.89 1g2r s ILE 36 Ca 0.10 1.92 0.04 0.00 0.00 0.00 0.00 60.65 62.72 1g2r s ILE 36 Cb 0.02 -4.25 0.16 0.00 0.01 0.00 0.00 42.46 38.40 1g2r s ILE 36 CO -0.05 0.39 0.41 -0.62 0.00 0.00 0.00 174.94 175.06 1g2r s ASP 37 N -0.38 4.43 0.59 3.58 2.15 0.09 -4.92 116.67 122.22 1g2r s ASP 37 Ca 0.42 -3.52 0.30 0.00 0.43 0.00 0.00 52.55 50.19 1g2r s ASP 37 Cb -0.23 -1.54 1.79 0.00 -0.30 0.00 0.00 42.92 42.64 1g2r s ASP 37 CO 0.28 -0.14 2.21 -0.65 -0.17 0.00 0.00 175.17 176.70 1g2r h PRO 38 N 5.78 0.00 0.00 4.34 0.11 -1.96 -2.87 132.00 137.41 1g2r h PRO 38 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1g2r h PRO 38 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1g2r h PRO 38 CO 0.68 0.00 -0.80 0.25 -0.21 0.00 0.00 178.00 177.92 1g2r n THR 39 N -3.80 0.19 -1.02 -1.15 -2.24 -1.26 -4.96 114.28 100.04 1g2r n THR 39 Ca -0.02 -0.20 -0.01 0.00 -2.27 0.00 0.00 64.05 61.56 1g2r n THR 39 Cb 0.15 0.13 -0.00 0.00 -2.10 0.00 0.00 70.33 68.52 1g2r n THR 39 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1g2r n GLY 40 N 1.39 0.39 0.88 3.38 0.00 -1.08 -4.90 105.19 105.24 1g2r n GLY 40 Ca 0.03 -0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.09 1g2r n GLY 40 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1g2r n LYS 41 N -1.83 1.99 -2.46 1.61 2.85 -1.26 -4.96 118.16 114.10 1g2r n LYS 41 Ca -0.01 -1.85 -0.33 0.00 -1.05 0.00 0.00 58.31 55.08 1g2r n LYS 41 Cb 0.16 -1.41 -0.04 0.00 -0.65 0.00 0.00 35.03 33.10 1g2r n LYS 41 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1g2r s ALA 42 N -1.60 2.97 0.29 0.58 0.00 -1.26 -5.05 121.76 117.69 1g2r s ALA 42 Ca 0.27 0.33 -0.11 0.00 0.00 0.00 0.00 51.96 52.46 1g2r s ALA 42 Cb 0.18 -3.17 -0.07 0.00 0.00 0.00 0.00 23.12 20.06 1g2r s ALA 42 CO 0.26 -0.26 0.64 -0.80 0.00 0.00 0.00 175.76 175.60 1g2r s ASN 43 N -2.64 6.62 0.00 0.00 0.01 -1.26 -5.00 114.94 112.67 1g2r s ASN 43 Ca 0.62 1.03 0.00 0.00 -0.71 0.00 0.00 52.86 53.79 1g2r s ASN 43 Cb -0.12 -2.27 0.00 0.00 0.41 0.00 0.00 41.25 39.27 1g2r s ASN 43 CO 0.26 -0.18 0.00 0.61 -1.51 0.00 0.00 177.10 176.28 1g2r n GLY 44 N -0.50 0.71 3.69 0.66 0.00 -1.26 -4.76 105.19 103.74 1g2r n GLY 44 Ca 0.01 -2.18 -0.39 0.00 0.00 0.00 0.00 46.02 43.47 1g2r n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1g2r s ARG 45 N -0.86 4.30 0.02 1.61 1.81 0.60 -4.88 118.95 121.54 1g2r s ARG 45 Ca 0.00 0.55 -0.01 0.00 -1.72 0.00 0.00 55.73 54.55 1g2r s ARG 45 Cb 0.00 -3.50 -0.04 0.00 -0.45 0.00 0.00 34.95 30.96 1g2r s ARG 45 CO 0.00 -0.01 0.17 0.20 -0.68 0.00 0.00 175.30 174.97 1g2r s GLY 46 N 0.89 2.14 -0.00 -3.53 0.00 -1.26 -1.07 107.32 104.49 1g2r s GLY 46 Ca 0.28 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 44.18 1g2r s GLY 46 CO 0.11 -0.74 -0.01 0.00 0.00 0.00 0.00 173.10 172.47 1g2r s ALA 47 N -1.36 0.13 0.04 3.20 0.00 0.29 -4.98 121.76 119.08 1g2r s ALA 47 Ca 0.29 -0.03 0.07 0.00 0.00 0.00 0.00 51.96 52.29 1g2r s ALA 47 Cb -0.13 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 1g2r s ALA 47 CO 0.21 0.02 -0.17 0.71 0.00 0.00 0.00 175.76 176.52 1g2r s TYR 48 N 0.08 2.57 0.18 0.00 2.02 -1.26 -0.81 117.35 120.14 1g2r s TYR 48 Ca -0.01 -0.25 0.02 0.00 -0.37 0.00 0.00 57.07 56.46 1g2r s TYR 48 Cb -0.02 -1.46 -0.05 0.00 -0.40 0.00 0.00 41.96 40.03 1g2r s TYR 48 CO -0.00 0.27 0.01 0.96 -1.57 0.00 0.00 175.55 175.22 1g2r s ILE 49 N -0.94 0.62 0.48 2.71 -4.36 -0.59 -0.69 121.20 118.43 1g2r s ILE 49 Ca 0.15 -1.98 -0.21 0.00 -0.26 0.00 0.00 60.65 58.36 1g2r s ILE 49 Cb -0.11 -2.16 -0.09 0.00 1.25 0.00 0.00 42.46 41.36 1g2r s ILE 49 CO 0.06 -0.43 1.04 -0.54 0.24 0.00 0.00 174.94 175.30 1g2r s LYS 50 N -3.94 3.85 -1.27 0.37 1.02 -1.26 -1.51 119.74 117.00 1g2r s LYS 50 Ca 0.25 1.37 -0.18 0.00 0.02 0.00 0.00 55.97 57.43 1g2r s LYS 50 Cb 0.06 -2.14 0.02 0.00 -0.52 0.00 0.00 37.83 35.25 1g2r s LYS 50 CO 0.05 -0.39 1.87 1.28 -0.92 0.00 0.00 175.35 177.24 1g2r n LEU 51 N -0.86 4.85 -3.71 3.17 4.77 0.77 -4.64 117.00 121.35 1g2r n LEU 51 Ca 0.09 -3.75 -0.11 0.00 -0.03 0.00 0.00 56.01 52.20 1g2r n LEU 51 Cb 0.52 -1.70 -0.11 0.00 -2.33 0.00 0.00 43.42 39.81 1g2r n LEU 51 CO 0.40 -0.10 0.04 -0.62 -1.33 0.00 0.00 177.39 175.78 1g2r s ASP 52 N 4.53 -0.47 0.30 -1.43 -1.08 -1.26 -4.90 116.67 112.36 1g2r s ASP 52 Ca 0.56 0.84 -0.01 0.00 -0.52 0.00 0.00 52.55 53.42 1g2r s ASP 52 Cb 0.05 0.75 0.46 0.00 -1.46 0.00 0.00 42.92 42.72 1g2r s ASP 52 CO 0.07 -0.18 1.90 0.78 0.52 0.00 0.00 175.17 178.26 1g2r h ASN 53 N 6.77 0.82 -0.61 -0.34 2.35 -1.88 -1.38 115.58 121.31 1g2r h ASN 53 Ca -0.35 -0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 55.29 1g2r h ASN 53 Cb 1.18 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 39.32 1g2r h ASN 53 CO 0.29 0.69 0.26 0.00 -1.65 0.00 0.00 177.43 177.03 1g2r h ALA 54 N 1.43 0.79 -0.44 -0.83 0.00 -1.97 -1.44 119.26 116.80 1g2r h ALA 54 Ca 0.22 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1g2r h ALA 54 Cb 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1g2r h ALA 54 CO -0.03 0.38 -0.24 0.93 0.00 0.00 0.00 179.25 180.29 1g2r h GLU 55 N 0.84 0.90 -0.65 0.00 5.08 -1.72 -0.88 114.58 118.14 1g2r h GLU 55 Ca 0.20 -0.38 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 1g2r h GLU 55 Cb 0.17 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 1g2r h GLU 55 CO -0.02 1.04 0.28 0.00 -1.00 0.00 0.00 179.01 179.30 1g2r h ALA 56 N 0.95 0.84 -0.39 3.43 0.00 -1.09 0.50 119.26 123.51 1g2r h ALA 56 Ca 0.10 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1g2r h ALA 56 Cb 0.79 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1g2r h ALA 56 CO 0.07 0.45 0.16 1.25 0.00 0.00 0.00 179.25 181.17 1g2r h LEU 57 N 0.91 0.53 -1.11 0.00 5.85 -1.18 -2.86 115.31 117.45 1g2r h LEU 57 Ca 0.22 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 1g2r h LEU 57 Cb 0.18 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1g2r h LEU 57 CO -0.02 0.55 -0.01 -0.08 -0.34 0.00 0.00 178.44 178.53 1g2r h GLU 58 N 0.49 0.61 -0.72 1.25 4.57 -0.95 0.01 114.58 119.84 1g2r h GLU 58 Ca 0.13 -0.14 0.08 0.00 -1.18 0.00 0.00 59.36 58.25 1g2r h GLU 58 Cb 0.17 -0.08 -0.07 0.00 -0.16 0.00 0.00 28.75 28.62 1g2r h GLU 58 CO -0.01 0.64 0.38 0.00 -1.18 0.00 0.00 179.01 178.84 1g2r h ALA 59 N 1.41 0.99 -0.20 2.92 0.00 -0.71 -0.89 119.26 122.78 1g2r h ALA 59 Ca 0.12 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 1g2r h ALA 59 Cb 0.38 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1g2r h ALA 59 CO 0.01 0.01 -0.45 -0.22 0.00 0.00 0.00 179.25 178.61 1g2r h LYS 60 N 0.67 0.66 -0.57 0.00 3.64 -1.17 0.04 116.57 119.83 1g2r h LYS 60 Ca 0.34 -0.44 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1g2r h LYS 60 Cb 0.31 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 1g2r h LYS 60 CO -0.24 1.06 0.30 0.87 -2.27 0.00 0.00 179.45 179.17 1g2r h LYS 61 N 0.35 0.79 -0.07 1.90 1.57 -0.50 -2.18 116.57 118.43 1g2r h LYS 61 Ca 0.00 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1g2r h LYS 61 Cb 1.06 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.21 1g2r h LYS 61 CO 0.10 0.59 0.00 1.63 -0.57 0.00 0.00 179.45 181.20 1g2r n LYS 62 N -4.38 2.35 -3.98 3.15 4.76 -0.38 -4.97 118.16 114.70 1g2r n LYS 62 Ca 0.05 -1.96 -0.30 0.00 -2.87 0.00 0.00 58.31 53.23 1g2r n LYS 62 Cb 0.11 -1.47 -0.02 0.00 -1.84 0.00 0.00 35.03 31.81 1g2r n LYS 62 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1g2r n LYS 63 N 1.36 -2.22 0.14 1.97 5.02 -0.15 -4.84 118.16 119.44 1g2r n LYS 63 Ca 0.15 0.32 0.03 0.00 -2.02 0.00 0.00 58.31 56.79 1g2r n LYS 63 Cb 0.60 -4.08 0.40 0.00 -0.02 0.00 0.00 35.03 31.92 1g2r n LYS 63 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1g2r h VAL 64 N -1.92 1.18 0.00 -0.18 -1.51 -1.42 -1.47 116.25 110.93 1g2r h VAL 64 Ca -0.65 -0.82 0.00 0.00 -1.23 0.00 0.00 66.70 64.00 1g2r h VAL 64 Cb 1.38 1.28 0.00 0.00 -2.13 0.00 0.00 31.29 31.82 1g2r h VAL 64 CO 0.60 0.25 0.00 -0.26 -1.23 0.00 0.00 177.57 176.93 1g2r h PHE 65 N 0.17 0.00 -0.47 5.19 0.04 -1.88 -2.66 116.94 117.33 1g2r h PHE 65 Ca 0.03 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 1g2r h PHE 65 Cb 0.40 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.53 1g2r h PHE 65 CO 0.00 0.00 0.26 -0.91 -0.60 0.00 0.00 178.31 177.07 1g2r h ASN 66 N 0.00 0.59 0.21 2.17 4.21 -1.43 0.64 115.58 121.97 1g2r h ASN 66 Ca 0.00 -0.09 -0.01 0.00 1.21 0.00 0.00 56.30 57.41 1g2r h ASN 66 Cb 0.80 -0.15 0.00 0.00 -1.12 0.00 0.00 38.32 37.85 1g2r h ASN 66 CO 0.00 0.51 -0.10 0.03 -1.29 0.00 0.00 177.43 176.58 1g2r h ARG 67 N 0.63 -0.27 -1.00 0.81 3.08 -1.61 0.15 114.38 116.16 1g2r h ARG 67 Ca 0.17 0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.26 1g2r h ARG 67 Cb 0.05 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.10 1g2r h ARG 67 CO -0.03 -0.11 0.66 0.77 -1.07 0.00 0.00 179.97 180.19 1g2r h SER 68 N -0.37 1.12 -0.07 7.04 0.02 -1.16 -3.11 113.55 117.03 1g2r h SER 68 Ca -0.03 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1g2r h SER 68 Cb 0.28 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1g2r h SER 68 CO 0.05 0.79 0.00 0.49 -1.14 0.00 0.00 176.83 177.02 1g2r n PHE 69 N -4.42 0.06 -3.76 3.45 3.72 0.19 -4.99 117.46 111.71 1g2r n PHE 69 Ca 0.13 -0.04 -0.23 0.00 -0.05 0.00 0.00 57.45 57.26 1g2r n PHE 69 Cb 0.05 -0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.62 1g2r n PHE 69 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1g2r n SER 70 N 1.12 -1.57 -3.60 4.37 7.64 -0.02 -4.96 113.62 116.60 1g2r n SER 70 Ca 0.12 -0.84 -0.10 0.00 1.01 0.00 0.00 58.87 59.06 1g2r n SER 70 Cb 0.50 -3.92 -0.02 0.00 -1.01 0.00 0.00 64.21 59.75 1g2r n SER 70 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g2r s MET 71 N -6.13 1.42 -0.74 1.43 0.23 -0.85 -5.06 119.30 109.60 1g2r s MET 71 Ca 0.10 -0.68 -0.23 0.00 -1.03 0.00 0.00 55.69 53.85 1g2r s MET 71 Cb -0.05 0.58 0.07 0.00 -1.53 0.00 0.00 34.83 33.90 1g2r s MET 71 CO 0.82 -0.63 1.08 -2.00 -2.03 0.00 0.00 175.02 172.27 1g2r s GLU 72 N -3.82 3.24 0.27 3.16 2.12 -1.26 -4.22 118.70 118.19 1g2r s GLU 72 Ca 0.05 -0.90 -0.29 0.00 0.36 0.00 0.00 54.97 54.18 1g2r s GLU 72 Cb -0.02 -4.42 -0.09 0.00 0.26 0.00 0.00 34.13 29.85 1g2r s GLU 72 CO -0.06 -1.90 1.22 0.08 -0.54 0.00 0.00 175.26 174.06 1g2r s VAL 73 N 4.20 3.20 0.36 3.70 1.01 -1.26 -4.98 120.40 126.63 1g2r s VAL 73 Ca 0.28 1.13 -0.28 0.00 0.00 0.00 0.00 61.98 63.11 1g2r s VAL 73 Cb -0.12 -3.72 -0.10 0.00 0.00 0.00 0.00 36.38 32.44 1g2r s VAL 73 CO 0.06 0.24 1.39 -1.61 0.00 0.00 0.00 175.10 175.18 1g2r s GLU 74 N -1.12 4.21 0.35 2.72 0.41 -1.26 -4.90 118.70 119.11 1g2r s GLU 74 Ca 0.49 2.37 0.06 0.00 -0.41 0.00 0.00 54.97 57.49 1g2r s GLU 74 Cb -0.35 -3.00 0.72 0.00 -1.78 0.00 0.00 34.13 29.72 1g2r s GLU 74 CO 0.44 -0.37 1.92 0.93 -0.49 0.00 0.00 175.26 177.69 1g2r h GLU 75 N 3.15 0.77 -0.86 1.61 4.39 -2.01 -0.22 114.58 121.41 1g2r h GLU 75 Ca -0.50 -0.05 0.13 0.00 0.34 0.00 0.00 59.36 59.28 1g2r h GLU 75 Cb 1.23 -0.17 -0.06 0.00 -0.10 0.00 0.00 28.75 29.65 1g2r h GLU 75 CO 0.65 0.51 0.56 0.66 -1.16 0.00 0.00 179.01 180.22 1g2r h SER 76 N 0.79 0.65 -0.29 1.42 4.64 -1.99 -1.16 113.55 117.61 1g2r h SER 76 Ca 0.37 0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.69 1g2r h SER 76 Cb 0.38 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 1g2r h SER 76 CO -0.14 0.35 0.07 0.15 -0.87 0.00 0.00 176.83 176.39 1g2r h PHE 77 N 0.70 0.49 -0.99 4.77 3.57 -1.40 -0.49 116.94 123.58 1g2r h PHE 77 Ca 0.42 -0.06 0.06 0.00 3.53 0.00 0.00 57.97 61.92 1g2r h PHE 77 Cb 0.64 -0.14 -0.07 0.00 2.79 0.00 0.00 35.95 39.17 1g2r h PHE 77 CO -0.00 0.53 0.64 1.88 -2.23 0.00 0.00 178.31 179.13 1g2r h TYR 78 N 0.31 1.19 -0.22 0.41 0.05 -1.28 0.74 116.97 118.18 1g2r h TYR 78 Ca 0.09 0.03 -0.12 0.00 0.05 0.00 0.00 58.73 58.78 1g2r h TYR 78 Cb 0.29 -0.39 -0.01 0.00 1.01 0.00 0.00 36.73 37.62 1g2r h TYR 78 CO 0.01 0.62 -0.39 -0.44 -1.05 0.00 0.00 178.16 176.92 1g2r h ASP 79 N 1.18 0.52 -0.31 3.88 3.32 -1.13 -1.67 116.42 122.20 1g2r h ASP 79 Ca 0.43 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 1g2r h ASP 79 Cb 0.15 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1g2r h ASP 79 CO -0.17 0.86 0.16 -0.08 -1.72 0.00 0.00 179.24 178.29 1g2r h GLU 80 N 0.41 0.44 -0.79 3.56 4.81 -0.29 -1.59 114.58 121.13 1g2r h GLU 80 Ca 0.04 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1g2r h GLU 80 Cb 0.87 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.13 1g2r h GLU 80 CO 0.07 0.40 0.31 1.25 -0.73 0.00 0.00 179.01 180.31 1g2r h LEU 81 N 0.37 1.10 -0.45 1.64 5.85 -0.62 0.94 115.31 124.13 1g2r h LEU 81 Ca 0.11 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.67 1g2r h LEU 81 Cb 0.10 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 1g2r h LEU 81 CO -0.01 0.97 0.29 0.40 -0.34 0.00 0.00 178.44 179.75 1g2r h ILE 82 N 1.15 1.08 -0.32 4.05 2.04 -1.17 -0.14 117.51 124.20 1g2r h ILE 82 Ca 0.26 -0.20 -0.15 0.00 1.00 0.00 0.00 64.86 65.78 1g2r h ILE 82 Cb 0.23 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 1g2r h ILE 82 CO -0.02 0.11 -0.38 0.00 0.00 0.00 0.00 178.15 177.85 1g2r h ALA 83 N 1.18 0.72 0.16 1.87 0.00 -0.91 -0.69 119.26 121.60 1g2r h ALA 83 Ca 0.17 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1g2r h ALA 83 Cb -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1g2r h ALA 83 CO -0.06 0.66 -0.08 -0.92 0.00 0.00 0.00 179.25 178.85 1g2r h TYR 84 N 0.63 -0.20 -0.55 0.00 5.03 -0.51 -1.36 116.97 120.01 1g2r h TYR 84 Ca 0.05 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.33 1g2r h TYR 84 Cb 0.93 0.07 -0.02 0.00 1.55 0.00 0.00 36.73 39.25 1g2r h TYR 84 CO 0.05 -0.12 0.22 0.28 -1.32 0.00 0.00 178.16 177.27 1g2r h VAL 85 N -0.23 1.22 -0.38 1.81 2.07 -0.95 -1.42 116.25 118.38 1g2r h VAL 85 Ca -0.02 -0.69 0.03 0.00 0.82 0.00 0.00 66.70 66.84 1g2r h VAL 85 Cb 0.17 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 1g2r h VAL 85 CO 0.04 0.26 0.17 -0.78 0.02 0.00 0.00 177.57 177.28 1g2r h ASP 86 N 0.75 0.24 -0.42 0.57 3.58 -0.98 0.13 116.42 120.29 1g2r h ASP 86 Ca 0.18 0.03 -0.06 0.00 0.42 0.00 0.00 57.03 57.60 1g2r h ASP 86 Cb 0.20 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 1g2r h ASP 86 CO -0.02 0.18 0.04 -0.74 -2.88 0.00 0.00 179.24 175.82 1g2r h HIS 87 N 0.36 0.78 -0.49 0.28 2.76 -1.04 -1.69 115.15 116.10 1g2r h HIS 87 Ca 0.16 -0.12 -0.13 0.00 -2.20 0.00 0.00 60.37 58.08 1g2r h HIS 87 Cb 0.09 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 28.83 1g2r h HIS 87 CO -0.11 0.76 -0.21 0.87 -1.30 0.00 0.00 177.93 177.94 1g2r h LYS 88 N 0.57 1.00 -0.65 5.26 1.79 -0.88 -1.22 116.57 122.44 1g2r h LYS 88 Ca 0.12 -0.42 -0.06 0.00 -2.18 0.00 0.00 60.65 58.11 1g2r h LYS 88 Cb 0.43 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.01 1g2r h LYS 88 CO 0.01 1.10 0.16 0.28 -1.08 0.00 0.00 179.45 179.93 1g2r h VAL 89 N 0.87 1.25 -0.38 0.50 2.07 -0.70 -0.42 116.25 119.44 1g2r h VAL 89 Ca 0.11 -0.93 -0.03 0.00 0.82 0.00 0.00 66.70 66.68 1g2r h VAL 89 Cb 0.79 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1g2r h VAL 89 CO 0.07 0.35 0.13 0.50 0.02 0.00 0.00 177.57 178.64 1g2r h LYS 90 N 0.98 0.57 -0.80 1.57 3.64 -1.06 -0.45 116.57 121.03 1g2r h LYS 90 Ca 0.21 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1g2r h LYS 90 Cb 0.35 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.04 1g2r h LYS 90 CO 0.00 0.57 0.49 0.00 -2.27 0.00 0.00 179.45 178.24 1g2r h ARG 91 N 0.46 1.08 -0.50 1.90 3.08 -0.84 -1.84 114.38 117.72 1g2r h ARG 91 Ca 0.12 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 59.99 1g2r h ARG 91 Cb 0.22 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1g2r h ARG 91 CO -0.01 0.75 -0.04 0.00 -1.07 0.00 0.00 179.97 179.61 1g2r h ARG 92 N 1.09 0.88 0.00 0.04 3.08 -0.74 0.09 114.38 118.82 1g2r h ARG 92 Ca 0.29 -0.27 -0.08 0.00 0.07 0.00 0.00 59.98 59.99 1g2r h ARG 92 Cb -0.05 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1g2r h ARG 92 CO -0.06 0.90 -0.39 0.93 -1.07 0.00 0.00 179.97 180.28 1g2r h GLU 93 N 0.80 0.00 -0.06 0.04 4.39 -0.73 -0.79 114.58 118.24 1g2r h GLU 93 Ca 0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.84 1g2r h GLU 93 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1g2r h GLU 93 CO 0.03 0.39 0.00 1.28 -1.16 0.00 0.00 179.01 179.55 1g2r n LEU 94 N -4.01 1.07 -0.91 1.33 4.77 -0.72 -4.93 117.00 113.60 1g2r n LEU 94 Ca -0.02 -0.40 -0.10 0.00 -0.03 0.00 0.00 56.01 55.47 1g2r n LEU 94 Cb 0.43 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.46 1g2r n LEU 94 CO 0.39 0.20 -0.11 0.61 -1.33 0.00 0.00 177.39 177.15 1g2r n GLY 95 N 1.08 0.64 0.19 -0.72 0.00 -0.30 -4.91 105.19 101.17 1g2r n GLY 95 Ca 0.18 -0.54 0.11 0.00 0.00 0.00 0.00 46.02 45.78 1g2r n GLY 95 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1g2r h LEU 96 N 0.00 0.00 0.00 0.99 3.38 -1.21 -3.49 115.31 114.98 1g2r h LEU 96 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1g2r h LEU 96 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1g2r h LEU 96 CO 0.29 0.03 0.00 -1.84 0.09 0.00 0.00 178.44 177.01